Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00168977

Structure

InChI Key BESKSSIEODQWBP-UHFFFAOYSA-N
Smiles O=C(OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)C(=C)C
InChI
InChI=1/C16H38O5Si4/c1-15(2)16(17)18-13-12-14-25(19-22(3,4)5,20-23(6,7)8)21-24(9,10)11/h1,12-14H2,2-11H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H38O5Si4
Molecular Weight 422.18
AlogP 4.99
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 11.0
Polar Surface Area 53.99
Heavy Atoms 25.0

Cross References

Resources Reference
CAS NUMBER 17096-07-0
NORMAN SUSDAT
PubChem 123371